CID 3053118

69552-04-1

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCC(=O)OC1(CCN(C1C)CC(CO)O)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO4/c1-3-16(21)22-17(14-7-5-4-6-8-14)9-10-18(13(17)2)11-15(20)12-19/h4-8,13,15,19-20H,3,9-12H2,1-2H3
InChIKey
PSFHWPACFHCLSV-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydroxypropyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 174.1
[M+Na]+ 330.16756 178.6
[M-H]- 306.17106 176.2
[M+NH4]+ 325.21216 189.7
[M+K]+ 346.14150 175.8
[M+H-H2O]+ 290.17560 167.4
[M+HCOO]- 352.17654 190.1
[M+CH3COO]- 366.19219 199.5
[M+Na-2H]- 328.15301 172.9
[M]+ 307.17779 173.8
[M]- 307.17889 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.